2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine

C17H19N3 — CID 79240135

IUPAC2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cc(Cn2cccc2CCN)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-20-10-4-5-15(20)8-9-18/h2-7,10-11H,8-9,12,18H2,1H3
InChIKeyKYDZZBZBOMZEOS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds4

About 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79240135) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79240135
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cc(Cn2cccc2CCN)c2ccccc2n1
InChIInChI=1S/C17H19N3/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-20-10-4-5-15(20)8-9-18/h2-7,10-11H,8-9,12,18H2,1H3
InChIKeyKYDZZBZBOMZEOS-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 79231737
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
CID 66404025
1-[(2-methylquinolin-4-yl)methyl]-1,2,4-triazol-3-amine
CID 79235165
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 102878793
5-bromo-1-[(2-methylquinolin-4-yl)methyl]pyrimidine-2,4-dione
CID 79231970
[1-[(2-methylquinolin-4-yl)methyl]pyrazol-4-yl]methanamine
CID 79241282
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
(2-methylquinolin-4-yl)methanethiol
CID 79885955

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine (CID 79240135) is 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine is Cc1cc(Cn2cccc2CCN)c2ccccc2n1.
What is the InChIKey of 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is KYDZZBZBOMZEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13-11-14(16-6-2-3-7-17(16)19-13)12-20-10-4-5-15(20)8-9-18/h2-7,10-11H,8-9,12,18H2,1H3.
What are the key properties of 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79240135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).